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More_Info:
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['1 . Appearance Colourless or 灰Yellow Liquid ', '2 . Density（g/mL, 20 ºC）0914 ', '3 . Relative vapor density（g/mL,Atmosphere =1）338 ', '4 . Melting point（ºC）-584 ', '5 . Boiling point（ºC,Atmospheric pressure）144 ', '6 相对. Density（20℃，4℃）09129 ', '7 . Refractive index(n 20/D ) 14336it) ', '8 . Flash point（ºC）98 ', '9 常温. Refractive index（n25）1430528 ', '10 . Spontaneous ignition point or ignition temperature（ºC）36 ', '11 . Vapor pressure（kPa,25ºC） 6 ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）-3525 ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 069 ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 对Water 溶解']
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Computational_Chemistry:
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['1. XlogP :08 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :3 ', '6. TPSA 171 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :862 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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